inorganic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

Redetermination of Mg2B25 based on single-crystal X-ray data

aDipartimento di Scienze della Terra, University of Firenze, Via La Pira 4, I-50121 Firenze, Italy, bEdison Spa R&D, Foro Buonaparte 31, I-20121 Milano, Italy, cDipartimento di Chimica, Materiali, Ingegneria Chimica "G. Natta", Politecnico di Milano, Via Mancinelli 7, I-20131 Milano, Italy, and dDipartimento di Scienze Chimiche e Ambientali, University of Insubria, Via Valleggio 11, I-22100 Como, Italy
*Correspondence e-mail: luca.bindi@unifi.it

(Received 14 May 2012; accepted 24 May 2012; online 31 May 2012)

The crystal structure of Mg2B25, dimagnesium penta­eicosa­boride, was reexamined from single-crystal X-ray diffraction data. The structural model previously reported on the basis of powder X-ray diffraction data [Giunchi et al. (2006[Giunchi, G., Malpezzi, L. & Masciocchi, N. (2006). Solid State Sci. 8, 1202-1208.]). Solid State Sci. 8, 1202–1208] has been confirmed, although a much higher precision refinement was achieved, leading to much smaller standard uncertainties on bond lengths and refined occupancy factors. Moreover, all atoms were refined with anisotropic displacement parameters. Mg2B25 crystallizes in the β-boron structure type and is isostructural with other rhombohedral compounds of the boron-rich metal boride family. Magnesium atoms are found in inter­stitial sites on special positions (two with site symmetry .m, one with .2 and one with 3m), all with partial occupancies.

Related literature

For background to this class of compounds, see: Nagamatsu et al. (2001[Nagamatsu, J., Nakagawa, N., Muranaka, T., Zenitali, Y. & Akimitsu, J. (2001). Nature (London), 40, 63-64.]); Giunchi (2003[Giunchi, G. (2003). Int. J. Mod. Phys. B17, 453-460.]), Giunchi et al. (2006[Giunchi, G., Malpezzi, L. & Masciocchi, N. (2006). Solid State Sci. 8, 1202-1208.]). For related phases in the Mg–B system, see: Adasch et al. (2006a[Adasch, V., Hess, K. U., Ludwig, T., Vojteer, V. & Hillebrecht, H. (2006a). J. Solid State Chem. 179, 2916-2926.],b[Adasch, V., Hess, K. U., Ludwig, T., Vojteer, V. & Hillebrecht, H. (2006b). J. Solid State Chem. 179, 2900-2907.]); Brutti et al. (2002[Brutti, S., Colapietro, M., Calducci, G., Barba, L., Manfrinetti, P. & Palenzona, A. (2002). Intermetallics, 10, 811-817.]); Guette et al. (1981[Guette, A., Barret, M., Naslain, R., Hagenmuller, P., Tergenuius, L. E. & Lundstrom, T. (1981). J. Less Common Met. 81, 325-334.]); Jones & Marsh (1954[Jones, M. E. & Marsh, R. E. (1954). J. Am. Chem. Soc. 76, 1434-1436.]); Naslain et al. (1973[Naslain, R., Guette, A. & Barret, M. (1973). J. Solid State Chem. 8, 68-85.]); Russell et al. (1953[Russell, V., Hirst, R., Kanda, F. A. & King, A. J. (1953). Acta Cryst. 6, 870.]); Pediaditakis et al. (2010[Pediaditakis, A., Schröder, M., Sagawe, V., Ludwig, T. & Hillebrecht, H. (2010). Inorg. Chem. 49, 10882-10893.]).

Experimental

Crystal data
  • Mg2B25

  • Mr = 318.87

  • Hexagonal, [R \overline 3m ]

  • a = 11.0398 (5) Å

  • c = 24.195 (1) Å

  • V = 2553.75 (19) Å3

  • Z = 12

  • Mo Kα radiation

  • μ = 0.23 mm−1

  • T = 298 K

  • 0.08 × 0.07 × 0.07 mm

Data collection
  • Oxford Xcalibur 3 CCD diffractometer

  • Absorption correction: gaussian (ABSPACK; Oxford Diffraction, 2006[Oxford Diffraction (2006). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]) Tmin = 0.982, Tmax = 0.984

  • 4794 measured reflections

  • 799 independent reflections

  • 724 reflections with I > 2σ(I)

  • Rint = 0.045

Refinement
  • R[F2 > 2σ(F2)] = 0.021

  • wR(F2) = 0.049

  • S = 1.13

  • 799 reflections

  • 122 parameters

  • Δρmax = 0.14 e Å−3

  • Δρmin = −0.31 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2006[Oxford Diffraction (2006). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2006[Oxford Diffraction (2006). CrysAlis CCD, CrysAlis RED and ABSPACK. Oxford Diffraction Ltd, Abingdon, England.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 2001[Brandenburg, K. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.

Supporting information


Comment top

The interest for a detailed description of the phase diagram of the Mg–B system has greatly increased with the recent discovery of the superconductivity of the MgB2 species (Nagamatsu et al., 2001). Up to now the only well-characterized crystalline phases of this binary system are the MgB2 (Russell et al., 1953; Jones & Marsh, 1954), MgB4 (Naslain et al., 1973), MgB7 (Guette et al., 1981), MgB12 (Adasch et al., 2006a), MgB17.4 (Adasch et al., 2006b), MgB20 (Brutti et al., 2002) and Mg5B44 (Pediaditakis et al., 2010) species. Giunchi et al. (2006) reported on the crystal structure determination, by laboratory X-ray powder diffraction (XRPD) methods, of the Mg2B25 species. This compound was isolated during a side study of the research aimed at the synthesis of MgB2 by infiltration of crystalline boron with liquid Mg (Giunchi, 2003) (process identified by Mg-RLI: Mg-Reactive Liquid Infiltration) in reaction conditions very different from the previous R3m members of the same family, i.e. with temperatures lower than 1033 K and reaction times of the order of one hour, in contrast to 1873 K and 40 h reported by Adasch et al. (2006a,b) and 1423 K, unreported reaction time, by Brutti et al. (2002).

With respect to the other published structures of the same rhombohedral family viz, MgB17.4 (Adasch et al., 2006b) and MgB20 (Brutti et al., 2002), Mg2B25 exhibits very small differences in the unit-cell parameters, but significant differences in the occupation of the interstitial magnesium sites, also with the identification of a new structural site never observed in the related metal borides. This site was labelled as Mg(N) by Giunchi et al. (2006). However, since the presence of partially occupied structural sites in the model obtained from XRPD data, some scepticism persisted in the literature about the true nature of the structure of Mg2B25. Here we present a re-examination of the crystal structure of Mg2B25 based on single-crystal X-ray diffraction data. The structural model previously reported by Giunchi et al. (2006) has been confirmed, although a much higher precision refinement was achieved, accompanied with the refinement of all atoms with anisotropic displacement parameters.

Mg2B25 adopts the β-boron structure and crystallizes isostructurally with other rhombohedral compounds of the boron-rich metal boride family (Fig. 1). Magnesium atoms occupy interstitial sites with partial occupancies that can be interpreted with the aid of the analysis of impossible interatomic Mg···Mg contacts.

Related literature top

For background to this class of compounds, see: Nagamatsu et al. (2001); Giunchi (2003), Giunchi et al. (2006). For related phases in the Mg–B system, see: Adasch et al. (2006a,b); Brutti et al. (2002); Guette et al. (1981); Jones & Marsh (1954); Naslain et al. (1973); Russell et al. (1953). Pediaditakis et al. (2010).

Experimental top

A small crystal fragment was cut out from a polished thin section of a MgB2 bulk sample. This sample was obtained by the Mg-RLI process (Giunchi, 2003) under particular mild conditions (low temperature and short heat treatment) in order to have a consistent Mg2B25 fraction in the final sample. Thus, this small crystal does not have to be considered as a representative product of the Mg-RLI process, but just a sample synthesized ad hoc. The extracted crystal fragment was used for the X-ray single-crystal diffraction study.

Refinement top

The crystal structure refinement was performed starting from the atomic coordinates reported by Giunchi et al. (2006). Convergence was rapidly obtained for an anisotropic model of the structure. The site–occupancy factor of the Mg positions and of some of the B positions (i.e., B4 and B13) was left free to vary.

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis CCD (Oxford Diffraction, 2006); data reduction: CrysAlis RED (Oxford Diffraction, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The crystal structure of Mg2B25 viewed down [010]. Anisotropic displacement parameters are drawn at the 90% probability level. Mg atoms are black, B atoms red.
dimagnesium pentaeicosaboride top
Crystal data top
Mg2B25Dx = 2.488 Mg m3
Mr = 318.87Mo Kα radiation, λ = 0.71073 Å
Hexagonal, R3mCell parameters from 562 reflections
Hall symbol: -R 3 2"θ = 10.6–26.2°
a = 11.0398 (5) ŵ = 0.23 mm1
c = 24.195 (1) ÅT = 298 K
V = 2553.75 (19) Å3Block, black
Z = 120.08 × 0.07 × 0.07 mm
F(000) = 1788
Data collection top
Oxford Xcalibur 3 CCD
diffractometer
799 independent reflections
Radiation source: fine-focus sealed tube724 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.045
ω scansθmax = 28.0°, θmin = 2.3°
Absorption correction: gaussian
(ABSPACK; Oxford Diffraction, 2006)
h = 1414
Tmin = 0.982, Tmax = 0.984k = 1414
4794 measured reflectionsl = 3131
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullPrimary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.021Secondary atom site location: difference Fourier map
wR(F2) = 0.049 w = 1/[σ2(Fo2) + (0.0342P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.13(Δ/σ)max = 0.001
799 reflectionsΔρmax = 0.14 e Å3
122 parametersΔρmin = 0.31 e Å3
Crystal data top
Mg2B25Z = 12
Mr = 318.87Mo Kα radiation
Hexagonal, R3mµ = 0.23 mm1
a = 11.0398 (5) ÅT = 298 K
c = 24.195 (1) Å0.08 × 0.07 × 0.07 mm
V = 2553.75 (19) Å3
Data collection top
Oxford Xcalibur 3 CCD
diffractometer
799 independent reflections
Absorption correction: gaussian
(ABSPACK; Oxford Diffraction, 2006)
724 reflections with I > 2σ(I)
Tmin = 0.982, Tmax = 0.984Rint = 0.045
4794 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.021122 parameters
wR(F2) = 0.0490 restraints
S = 1.13Δρmax = 0.14 e Å3
799 reflectionsΔρmin = 0.31 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
B10.17051 (6)0.16425 (6)0.17121 (2)0.01393 (14)
B20.31095 (6)0.29537 (6)0.13087 (2)0.01500 (14)
B30.25656 (6)0.21074 (6)0.41962 (2)0.01482 (14)
B40.24302 (14)0.2507 (2)0.34557 (4)0.0146 (4)0.836 (7)
B50.05447 (4)0.10893 (8)0.94321 (3)0.01410 (18)
B60.08455 (4)0.16910 (8)0.01360 (3)0.01402 (18)
B70.10819 (4)0.21638 (9)0.88662 (3)0.01461 (18)
B80.17148 (4)0.34295 (8)0.02961 (3)0.01510 (18)
B90.13101 (4)0.26201 (9)0.76761 (3)0.01487 (17)
B100.10643 (4)0.21286 (8)0.70081 (3)0.01434 (18)
B110.05625 (4)0.11249 (9)0.32568 (3)0.01443 (17)
B120.08963 (4)0.17926 (8)0.40273 (3)0.01459 (18)
B130.05471 (9)0.10941 (17)0.55309 (6)0.0136 (5)0.493 (4)
B140.00000.00000.38677 (6)0.0148 (3)
B150.00000.00000.50000.0148 (4)
MgN0.12339 (3)0.24679 (6)0.25266 (2)0.01846 (19)0.5000 (14)
MgD0.20089 (3)0.40178 (6)0.17677 (2)0.0185 (2)0.5019 (14)
MgE0.00000.00000.23530 (4)0.0190 (3)0.501 (2)
MgF0.37439 (15)0.00000.00000.0182 (13)0.166 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
B10.0141 (3)0.0141 (3)0.0135 (2)0.0071 (2)0.00003 (19)0.00011 (19)
B20.0150 (3)0.0153 (3)0.0149 (2)0.0077 (2)0.00008 (19)0.00003 (18)
B30.0151 (3)0.0146 (3)0.0147 (3)0.0074 (2)0.0002 (2)0.00001 (19)
B40.0147 (5)0.0152 (9)0.0140 (4)0.0075 (6)0.0001 (3)0.0001 (4)
B50.0141 (3)0.0143 (4)0.0140 (4)0.00715 (19)0.00002 (14)0.0000 (3)
B60.0140 (3)0.0147 (4)0.0136 (4)0.00735 (19)0.00002 (12)0.0000 (2)
B70.0149 (3)0.0150 (4)0.0140 (4)0.0075 (2)0.00010 (14)0.0002 (3)
B80.0153 (3)0.0150 (4)0.0149 (4)0.0075 (2)0.00003 (13)0.0001 (3)
B90.0151 (3)0.0151 (4)0.0144 (3)0.00757 (19)0.00008 (13)0.0002 (3)
B100.0147 (3)0.0146 (4)0.0137 (4)0.0073 (2)0.00022 (14)0.0004 (3)
B110.0144 (3)0.0144 (4)0.0144 (3)0.00722 (18)0.00000 (14)0.0000 (3)
B120.0145 (3)0.0147 (4)0.0147 (4)0.00735 (19)0.00012 (14)0.0002 (3)
B130.0138 (7)0.0139 (8)0.0133 (7)0.0069 (4)0.0004 (3)0.0008 (5)
B140.0146 (4)0.0146 (4)0.0152 (6)0.0073 (2)0.0000.000
B150.0149 (6)0.0149 (6)0.0146 (8)0.0075 (3)0.0000.000
MgN0.0187 (2)0.0185 (3)0.0181 (3)0.00925 (15)0.00013 (9)0.00025 (19)
MgD0.0185 (2)0.0192 (3)0.0180 (3)0.00961 (16)0.00006 (9)0.00011 (18)
MgE0.0190 (4)0.0190 (4)0.0188 (5)0.00951 (19)0.0000.000
MgF0.0187 (11)0.017 (3)0.0183 (9)0.0086 (16)0.0005 (7)0.0010 (14)
Geometric parameters (Å, º) top
B1—B7i1.7061 (9)B11—B4iii1.9145 (16)
B1—B1ii1.7441 (12)B11—B121.9703 (11)
B1—B21.7909 (8)B11—MgN2.1840 (9)
B1—B9i1.9279 (10)B11—MgE2.4370 (12)
B1—B1iii1.9515 (12)B11—MgFix2.5328 (11)
B1—B2iv2.0394 (8)B11—MgFxii2.5329 (11)
B1—MgN2.3363 (7)B12—B3iii1.7446 (6)
B1—MgE2.4130 (8)B12—B141.7568 (8)
B1—MgD2.4754 (8)B12—B13i1.8389 (11)
B2—B3v1.7785 (8)B12—B13xiii1.8389 (11)
B2—B2iv1.7842 (11)B12—B4iii2.0165 (16)
B2—B7i1.8389 (8)B12—MgDx2.2623 (9)
B2—B9vi1.9266 (8)B12—MgNx2.3166 (9)
B2—B1iv2.0394 (8)B12—MgFix2.6289 (11)
B2—MgD2.3488 (7)B12—MgFxii2.6290 (11)
B2—MgDvii2.3988 (6)B13—B151.6566 (16)
B2—MgNvii2.5803 (6)B13—B14xxv1.792 (2)
B3—B121.7446 (6)B13—B3xx1.8010 (15)
B3—B8viii1.7667 (9)B13—B3xiii1.8010 (15)
B3—B2viii1.7785 (8)B13—B13xv1.812 (3)
B3—B13i1.8010 (15)B13—B13xvi1.812 (3)
B3—B3ii1.8205 (12)B13—B12xiii1.8389 (11)
B3—B41.8690 (14)B13—B12i1.8389 (11)
B3—MgDviii2.3723 (7)B13—MgDx2.1326 (17)
B3—MgFix2.4108 (6)B13—MgDviii2.4373 (9)
B3—MgDx2.4382 (7)B13—MgDxxvii2.4374 (9)
B3—MgNx2.6082 (7)B14—B12xvi1.7568 (8)
B4—MgFix0.848 (2)B14—B12xv1.7568 (8)
B4—B8viii1.6753 (12)B14—B13i1.792 (2)
B4—B4xi1.687 (4)B14—B13xiii1.792 (2)
B4—B10i1.8378 (12)B14—B13xxv1.792 (2)
B4—B111.9145 (16)B14—B11xv1.8279 (15)
B4—B122.0165 (16)B14—B11xvi1.8279 (15)
B4—MgN2.5964 (9)B15—B13xxv1.6566 (16)
B4—MgNx2.6540 (10)B15—B13i1.6566 (16)
B4—MgFxii2.8150 (16)B15—B13xiii1.6566 (16)
B5—B71.7117 (11)B15—B13xvi1.6566 (16)
B5—B6i1.7626 (8)B15—B13xv1.6566 (16)
B5—B6xiii1.7626 (8)B15—MgDxxviii2.5443 (6)
B5—B6xiv1.7976 (11)B15—MgDviii2.5443 (6)
B5—B5xv1.8039 (14)B15—MgDx2.5443 (6)
B5—B5xvi1.8039 (14)B15—MgDxxix2.5443 (6)
B6—B81.7067 (12)B15—MgDxxx2.5444 (6)
B6—B6xvii1.7455 (9)B15—MgDxxvii2.5444 (6)
B6—B6xviii1.7455 (9)MgN—B12x2.3166 (9)
B6—B5xiii1.7626 (8)MgN—B1iii2.3363 (7)
B6—B5i1.7626 (8)MgN—MgD2.3596 (7)
B6—B5xix1.7976 (11)MgN—MgE2.3966 (6)
B6—MgFxv2.8691 (16)MgN—B9i2.4844 (6)
B6—MgFxvii2.8691 (16)MgN—B9xiii2.4844 (6)
B7—B1xiii1.7061 (9)MgN—B10i2.4848 (6)
B7—B1xx1.7061 (9)MgN—B10xiii2.4848 (6)
B7—B9xxi1.8250 (12)MgN—MgFix2.5333 (10)
B7—B2xx1.8389 (8)MgN—MgFxii2.5333 (10)
B7—B2xiii1.8389 (8)MgD—B13x2.1326 (17)
B8—B4xxii1.6753 (12)MgD—B12x2.2623 (9)
B8—B4v1.6754 (12)MgD—B2iii2.3488 (7)
B8—B3xxii1.7667 (9)MgD—B3xxii2.3723 (7)
B8—B3v1.7668 (9)MgD—B3v2.3724 (7)
B8—B10x1.8715 (11)MgD—B2iv2.3987 (6)
B8—MgFxvii2.2078 (10)MgD—B2xxxi2.3988 (6)
B8—MgFxv2.2078 (10)MgD—B13xxxii2.4373 (9)
B9—B101.6831 (11)MgD—B13v2.4373 (9)
B9—B7xxi1.8250 (12)MgD—B3x2.4382 (7)
B9—B2xxiii1.9266 (8)MgE—MgNxv2.3966 (6)
B9—B2xxiv1.9267 (8)MgE—MgNxvi2.3966 (6)
B9—B1xiii1.9279 (10)MgE—B1xxxiii2.4130 (8)
B9—B1xx1.9279 (10)MgE—B1xvi2.4130 (8)
B9—MgNxiii2.4844 (6)MgE—B1xv2.4130 (8)
B9—MgNi2.4844 (6)MgE—B1ii2.4130 (8)
B9—MgExxv2.5060 (8)MgE—B1iii2.4130 (8)
B10—B4xx1.8378 (12)MgE—B11xvi2.4370 (12)
B10—B4xiii1.8378 (12)MgE—B11xv2.4370 (12)
B10—B8x1.8715 (11)MgF—B4ix0.848 (2)
B10—B11xiii1.8763 (7)MgF—B4xxxiv0.848 (2)
B10—B11i1.8763 (7)MgF—B8xviii2.2078 (10)
B10—MgFxxiv2.3515 (5)MgF—B8xvi2.2078 (10)
B10—MgFxxvi2.3516 (5)MgF—B10xxx2.3516 (5)
B10—MgNxiii2.4848 (6)MgF—B10vi2.3516 (5)
B10—MgNi2.4848 (6)MgF—B3xxxiv2.4108 (6)
B10—MgExxv2.5556 (10)MgF—B3ix2.4108 (6)
B11—B141.8279 (15)MgF—B11ix2.5328 (11)
B11—B11xv1.8629 (14)MgF—B11xxxv2.5329 (11)
B11—B11xvi1.8629 (14)MgF—MgNix2.5333 (10)
B11—B10i1.8763 (7)MgF—MgNxxxv2.5333 (10)
B11—B10xiii1.8763 (7)
B7i—B1—B1ii59.26 (2)B11—B12—MgNx115.67 (4)
B7i—B1—B263.40 (4)B4—B12—MgNx75.18 (5)
B1ii—B1—B2112.05 (3)B4iii—B12—MgNx75.19 (5)
B7i—B1—B9i106.37 (4)MgDx—B12—MgNx62.02 (3)
B1ii—B1—B9i63.11 (2)B3—B12—MgFix63.15 (4)
B2—B1—B9i104.36 (4)B3iii—B12—MgFix123.89 (5)
B7i—B1—B1iii118.57 (3)B14—B12—MgFix113.97 (5)
B1ii—B1—B1iii120.0B13i—B12—MgFix118.31 (6)
B2—B1—B1iii117.49 (3)B13xiii—B12—MgFix173.69 (6)
B9i—B1—B1iii128.25 (3)B11—B12—MgFix65.00 (3)
B7i—B1—B2iv104.44 (4)B4—B12—MgFix14.64 (6)
B1ii—B1—B2iv109.25 (2)B4iii—B12—MgFix73.26 (5)
B2—B1—B2iv55.06 (3)MgDx—B12—MgFix113.12 (3)
B9i—B1—B2iv58.03 (3)MgNx—B12—MgFix61.23 (2)
B1iii—B1—B2iv125.95 (2)B3—B12—MgFxii123.89 (5)
B7i—B1—MgN176.04 (4)B3iii—B12—MgFxii63.15 (4)
B1ii—B1—MgN120.089 (18)B14—B12—MgFxii113.97 (5)
B2—B1—MgN114.58 (3)B13i—B12—MgFxii173.69 (6)
B9i—B1—MgN70.53 (3)B13xiii—B12—MgFxii118.31 (6)
B1iii—B1—MgN65.314 (16)B11—B12—MgFxii65.00 (3)
B2iv—B1—MgN71.90 (3)B4—B12—MgFxii73.26 (5)
B7i—B1—MgE121.06 (4)B4iii—B12—MgFxii14.64 (6)
B1ii—B1—MgE68.814 (15)MgDx—B12—MgFxii113.12 (3)
B2—B1—MgE172.93 (4)MgNx—B12—MgFxii61.24 (2)
B9i—B1—MgE69.50 (3)MgFix—B12—MgFxii63.67 (6)
B1iii—B1—MgE66.147 (15)B15—B13—B14xxv105.13 (9)
B2iv—B1—MgE117.87 (4)B15—B13—B3xx141.03 (6)
MgN—B1—MgE60.59 (2)B14xxv—B13—B3xx99.11 (7)
B7i—B1—MgD121.42 (3)B15—B13—B3xiii141.03 (6)
B1ii—B1—MgD172.571 (15)B14xxv—B13—B3xiii99.11 (7)
B2—B1—MgD64.49 (3)B3xx—B13—B3xiii60.72 (7)
B9i—B1—MgD110.71 (3)B15—B13—B13xv56.85 (4)
B1iii—B1—MgD66.785 (15)B14xxv—B13—B13xv59.63 (5)
B2iv—B1—MgD63.32 (2)B3xx—B13—B13xv158.31 (5)
MgN—B1—MgD58.65 (2)B3xiii—B13—B13xv115.07 (4)
MgE—B1—MgD113.75 (3)B15—B13—B13xvi56.85 (4)
B3v—B2—B2iv128.25 (3)B14xxv—B13—B13xvi59.63 (5)
B3v—B2—B1122.06 (4)B3xx—B13—B13xvi115.07 (4)
B2iv—B2—B169.56 (4)B3xiii—B13—B13xvi158.31 (5)
B3v—B2—B7i117.24 (4)B13xv—B13—B13xvi60.0
B2iv—B2—B7i109.96 (3)B15—B13—B12xiii112.69 (6)
B1—B2—B7i56.05 (4)B14xxv—B13—B12xiii57.86 (5)
B3v—B2—B9vi117.38 (4)B3xx—B13—B12xiii105.97 (8)
B2iv—B2—B9vi104.67 (4)B3xiii—B13—B12xiii57.27 (4)
B1—B2—B9vi104.63 (4)B13xv—B13—B12xiii60.49 (5)
B7i—B2—B9vi57.92 (4)B13xvi—B13—B12xiii108.33 (5)
B3v—B2—B1iv126.37 (4)B15—B13—B12i112.69 (6)
B2iv—B2—B1iv55.37 (3)B14xxv—B13—B12i57.86 (5)
B1—B2—B1iv108.97 (4)B3xx—B13—B12i57.27 (4)
B7i—B2—B1iv103.61 (4)B3xiii—B13—B12i105.97 (8)
B9vi—B2—B1iv58.09 (3)B13xv—B13—B12i108.33 (5)
B3v—B2—MgD68.57 (3)B13xvi—B13—B12i60.49 (5)
B2iv—B2—MgD69.42 (3)B12xiii—B13—B12i107.64 (9)
B1—B2—MgD72.02 (3)B15—B13—MgDx83.34 (7)
B7i—B2—MgD121.72 (4)B14xxv—B13—MgDx171.52 (10)
B9vi—B2—MgD173.85 (4)B3xx—B13—MgDx73.64 (6)
B1iv—B2—MgD117.63 (3)B3xiii—B13—MgDx73.64 (6)
B3v—B2—MgDvii69.62 (3)B13xv—B13—MgDx127.13 (4)
B2iv—B2—MgDvii66.45 (3)B13xvi—B13—MgDx127.13 (4)
B1—B2—MgDvii126.89 (3)B12xiii—B13—MgDx119.24 (6)
B7i—B2—MgDvii170.76 (4)B12i—B13—MgDx119.24 (6)
B9vi—B2—MgDvii113.96 (4)B15—B13—MgDviii74.11 (4)
B1iv—B2—MgDvii67.24 (3)B14xxv—B13—MgDviii113.53 (4)
MgD—B2—MgDvii65.80 (3)B3xx—B13—MgDviii68.35 (3)
B3v—B2—MgNvii70.80 (3)B3xiii—B13—MgDviii122.73 (7)
B2iv—B2—MgNvii104.50 (4)B13xv—B13—MgDviii121.88 (4)
B1—B2—MgNvii167.03 (4)B13xvi—B13—MgDviii68.18 (4)
B7i—B2—MgNvii118.51 (4)B12xiii—B13—MgDviii169.64 (8)
B9vi—B2—MgNvii65.03 (3)B12i—B13—MgDviii62.03 (3)
B1iv—B2—MgNvii59.39 (2)MgDx—B13—MgDviii68.35 (4)
MgD—B2—MgNvii117.48 (3)B15—B13—MgDxxvii74.11 (4)
MgDvii—B2—MgNvii56.43 (2)B14xxv—B13—MgDxxvii113.53 (4)
B12—B3—B8viii108.67 (5)B3xx—B13—MgDxxvii122.73 (7)
B12—B3—B2viii122.77 (5)B3xiii—B13—MgDxxvii68.35 (3)
B8viii—B3—B2viii120.34 (5)B13xv—B13—MgDxxvii68.18 (4)
B12—B3—B13i62.46 (5)B13xvi—B13—MgDxxvii121.88 (4)
B8viii—B3—B13i107.94 (5)B12xiii—B13—MgDxxvii62.03 (3)
B2viii—B3—B13i120.86 (6)B12i—B13—MgDxxvii169.63 (8)
B12—B3—B3ii109.21 (3)MgDx—B13—MgDxxvii68.35 (4)
B8viii—B3—B3ii58.99 (2)MgDviii—B13—MgDxxvii128.28 (7)
B2viii—B3—B3ii120.11 (3)B12xvi—B14—B12115.31 (4)
B13i—B3—B3ii59.64 (3)B12xvi—B14—B12xv115.31 (4)
B12—B3—B467.74 (5)B12—B14—B12xv115.31 (4)
B8viii—B3—B454.79 (3)B12xvi—B14—B13i62.41 (4)
B2viii—B3—B4119.05 (7)B12—B14—B13i62.41 (4)
B13i—B3—B4115.90 (8)B12xv—B14—B13i113.02 (9)
B3ii—B3—B4106.03 (5)B12xvi—B14—B13xiii113.02 (9)
B12—B3—MgDviii111.91 (4)B12—B14—B13xiii62.41 (4)
B8viii—B3—MgDviii120.43 (3)B12xv—B14—B13xiii62.41 (4)
B2viii—B3—MgDviii67.17 (3)B13i—B14—B13xiii60.73 (9)
B13i—B3—MgDviii59.60 (5)B12xvi—B14—B13xxv62.41 (4)
B3ii—B3—MgDviii67.438 (14)B12—B14—B13xxv113.02 (9)
B4—B3—MgDviii173.19 (6)B12xv—B14—B13xxv62.41 (4)
B12—B3—MgFix76.64 (5)B13i—B14—B13xxv60.73 (9)
B8viii—B3—MgFix61.54 (3)B13xiii—B14—B13xxv60.73 (9)
B2viii—B3—MgFix101.38 (3)B12xvi—B14—B11xv117.69 (5)
B13i—B3—MgFix132.10 (6)B12—B14—B11xv117.69 (5)
B3ii—B3—MgFix118.66 (2)B12xv—B14—B11xv66.65 (4)
B4—B3—MgFix17.68 (6)B13i—B14—B11xv179.67 (7)
MgDviii—B3—MgFix168.08 (4)B13xiii—B14—B11xv119.00 (5)
B12—B3—MgDx62.94 (3)B13xxv—B14—B11xv119.00 (5)
B8viii—B3—MgDx171.58 (4)B12xvi—B14—B11xvi66.65 (4)
B2viii—B3—MgDx67.25 (3)B12—B14—B11xvi117.69 (5)
B13i—B3—MgDx68.29 (4)B12xv—B14—B11xvi117.69 (5)
B3ii—B3—MgDx121.747 (19)B13i—B14—B11xvi119.00 (5)
B4—B3—MgDx119.30 (4)B13xiii—B14—B11xvi179.67 (8)
MgDviii—B3—MgDx64.83 (2)B13xxv—B14—B11xvi119.00 (5)
MgFix—B3—MgDx114.86 (4)B11xv—B14—B11xvi61.27 (6)
B12—B3—MgNx60.51 (3)B12xvi—B14—B11117.69 (5)
B8viii—B3—MgNx121.91 (3)B12—B14—B1166.65 (4)
B2viii—B3—MgNx69.11 (3)B12xv—B14—B11117.69 (5)
B13i—B3—MgNx112.51 (4)B13i—B14—B11119.00 (5)
B3ii—B3—MgNx169.708 (15)B13xiii—B14—B11119.00 (5)
B4—B3—MgNx70.52 (4)B13xxv—B14—B11179.67 (8)
MgDviii—B3—MgNx115.55 (2)B11xv—B14—B1161.27 (6)
MgFix—B3—MgNx60.47 (3)B11xvi—B14—B1161.27 (6)
MgDx—B3—MgNx55.630 (19)B13—B15—B13xxv180.0
MgFix—B4—B8viii118.33 (13)B13—B15—B13i113.70 (9)
MgFix—B4—B4xi5.94 (12)B13xxv—B15—B13i66.30 (9)
B8viii—B4—B4xi124.26 (7)B13—B15—B13xiii113.70 (9)
MgFix—B4—B10i117.38 (9)B13xxv—B15—B13xiii66.30 (9)
B8viii—B4—B10i64.19 (5)B13i—B15—B13xiii66.30 (9)
B4xi—B4—B10i119.25 (8)B13—B15—B13xvi66.30 (9)
MgFix—B4—B3120.31 (8)B13xxv—B15—B13xvi113.70 (9)
B8viii—B4—B359.50 (5)B13i—B15—B13xvi113.70 (9)
B4xi—B4—B3121.87 (8)B13xiii—B15—B13xvi180.00 (7)
B10i—B4—B3112.45 (10)B13—B15—B13xv66.30 (9)
MgFix—B4—B11128.71 (13)B13xxv—B15—B13xv113.70 (9)
B8viii—B4—B11105.81 (11)B13i—B15—B13xv180.0
B4xi—B4—B11123.93 (7)B13xiii—B15—B13xv113.70 (9)
B10i—B4—B1159.96 (5)B13xvi—B15—B13xv66.30 (9)
B3—B4—B11103.54 (10)B13—B15—MgDxxviii112.88 (2)
MgFix—B4—B12128.43 (11)B13xxv—B15—MgDxxviii67.12 (2)
B8viii—B4—B12100.79 (10)B13i—B15—MgDxxviii123.64 (6)
B4xi—B4—B12123.92 (6)B13xiii—B15—MgDxxviii67.12 (2)
B10i—B4—B12109.08 (10)B13xvi—B15—MgDxxviii112.88 (2)
B3—B4—B1253.19 (5)B13xv—B15—MgDxxviii56.36 (6)
B11—B4—B1260.10 (6)B13—B15—MgDviii67.12 (2)
MgFix—B4—MgN76.30 (9)B13xxv—B15—MgDviii112.88 (2)
B8viii—B4—MgN128.49 (5)B13i—B15—MgDviii56.36 (6)
B4xi—B4—MgN73.12 (6)B13xiii—B15—MgDviii112.88 (2)
B10i—B4—MgN65.58 (3)B13xvi—B15—MgDviii67.12 (2)
B3—B4—MgN157.83 (9)B13xv—B15—MgDviii123.64 (6)
B11—B4—MgN55.46 (3)MgDxxviii—B15—MgDviii180.00 (2)
B12—B4—MgN105.46 (4)B13—B15—MgDx56.36 (6)
MgFix—B4—MgNx72.59 (9)B13xxv—B15—MgDx123.64 (6)
B8viii—B4—MgNx123.78 (5)B13i—B15—MgDx67.12 (2)
B4xi—B4—MgNx69.42 (6)B13xiii—B15—MgDx67.12 (2)
B10i—B4—MgNx164.11 (8)B13xvi—B15—MgDx112.88 (2)
B3—B4—MgNx67.89 (3)B13xv—B15—MgDx112.88 (2)
B11—B4—MgNx104.20 (4)MgDxxviii—B15—MgDx119.089 (4)
B12—B4—MgNx57.55 (3)MgDviii—B15—MgDx60.911 (4)
MgN—B4—MgNx107.70 (4)B13—B15—MgDxxix123.64 (6)
MgFix—B4—MgFxii78.50 (14)B13xxv—B15—MgDxxix56.36 (6)
B8viii—B4—MgFxii162.81 (12)B13i—B15—MgDxxix112.88 (2)
B4xi—B4—MgFxii72.57 (5)B13xiii—B15—MgDxxix112.88 (2)
B10i—B4—MgFxii112.77 (4)B13xvi—B15—MgDxxix67.12 (2)
B3—B4—MgFxii110.31 (4)B13xv—B15—MgDxxix67.12 (2)
B11—B4—MgFxii61.31 (3)MgDxxviii—B15—MgDxxix60.911 (4)
B12—B4—MgFxii63.43 (3)MgDviii—B15—MgDxxix119.089 (4)
MgN—B4—MgFxii55.650 (18)MgDx—B15—MgDxxix180.0
MgNx—B4—MgFxii55.090 (17)B13—B15—MgDxxx112.88 (2)
B7—B5—B6i123.62 (4)B13xxv—B15—MgDxxx67.12 (2)
B7—B5—B6xiii123.62 (4)B13i—B15—MgDxxx67.12 (2)
B6i—B5—B6xiii105.19 (6)B13xiii—B15—MgDxxx123.64 (6)
B7—B5—B6xiv124.46 (6)B13xvi—B15—MgDxxx56.36 (6)
B6i—B5—B6xiv58.71 (3)B13xv—B15—MgDxxx112.88 (2)
B6xiii—B5—B6xiv58.71 (3)MgDxxviii—B15—MgDxxx119.087 (4)
B7—B5—B5xv121.31 (3)MgDviii—B15—MgDxxx60.913 (4)
B6i—B5—B5xv106.42 (3)MgDx—B15—MgDxxx119.087 (4)
B6xiii—B5—B5xv59.22 (3)MgDxxix—B15—MgDxxx60.913 (4)
B6xiv—B5—B5xv106.09 (3)B13—B15—MgDxxvii67.12 (2)
B7—B5—B5xvi121.31 (3)B13xxv—B15—MgDxxvii112.88 (2)
B6i—B5—B5xvi59.22 (3)B13i—B15—MgDxxvii112.88 (2)
B6xiii—B5—B5xvi106.42 (3)B13xiii—B15—MgDxxvii56.36 (6)
B6xiv—B5—B5xvi106.09 (3)B13xvi—B15—MgDxxvii123.64 (6)
B5xv—B5—B5xvi60.0B13xv—B15—MgDxxvii67.12 (2)
B8—B6—B6xvii122.451 (10)MgDxxviii—B15—MgDxxvii60.913 (4)
B8—B6—B6xviii122.451 (10)MgDviii—B15—MgDxxvii119.087 (4)
B6xvii—B6—B6xviii106.67 (5)MgDx—B15—MgDxxvii60.913 (4)
B8—B6—B5xiii118.10 (5)MgDxxix—B15—MgDxxvii119.087 (4)
B6xvii—B6—B5xiii61.65 (4)MgDxxx—B15—MgDxxvii180.0
B6xviii—B6—B5xiii110.24 (4)B11—MgN—B12x119.24 (4)
B8—B6—B5i118.10 (5)B11—MgN—B1118.93 (3)
B6xvii—B6—B5i110.24 (4)B12x—MgN—B1115.77 (3)
B6xviii—B6—B5i61.65 (4)B11—MgN—B1iii118.93 (3)
B5xiii—B6—B5i61.56 (6)B12x—MgN—B1iii115.77 (3)
B8—B6—B5xix121.78 (6)B1—MgN—B1iii49.37 (3)
B6xvii—B6—B5xix59.64 (4)B11—MgN—MgD177.10 (4)
B6xviii—B6—B5xix59.64 (4)B12x—MgN—MgD57.86 (3)
B5xiii—B6—B5xix111.27 (5)B1—MgN—MgD63.62 (2)
B5i—B6—B5xix111.27 (5)B1iii—MgN—MgD63.62 (2)
B8—B6—MgFxv50.190 (19)B11—MgN—MgE64.09 (3)
B6xvii—B6—MgFxv72.291 (16)B12x—MgN—MgE176.67 (4)
B6xviii—B6—MgFxv148.36 (6)B1—MgN—MgE61.29 (3)
B5xiii—B6—MgFxv97.17 (3)B1iii—MgN—MgE61.29 (3)
B5i—B6—MgFxv149.54 (4)MgD—MgN—MgE118.81 (3)
B5xix—B6—MgFxv96.33 (3)B11—MgN—B9i84.13 (2)
B8—B6—MgFxvii50.190 (19)B12x—MgN—B9i117.75 (2)
B6xvii—B6—MgFxvii148.36 (6)B1—MgN—B9i47.02 (2)
B6xviii—B6—MgFxvii72.291 (16)B1iii—MgN—B9i92.73 (3)
B5xiii—B6—MgFxvii149.54 (4)MgD—MgN—B9i97.25 (2)
B5i—B6—MgFxvii97.17 (3)MgE—MgN—B9i61.754 (19)
B5xix—B6—MgFxvii96.33 (3)B11—MgN—B9xiii84.13 (2)
MgFxv—B6—MgFxvii92.16 (3)B12x—MgN—B9xiii117.76 (2)
B1xiii—B7—B1xx61.48 (5)B1—MgN—B9xiii92.73 (3)
B1xiii—B7—B5120.12 (5)B1iii—MgN—B9xiii47.02 (2)
B1xx—B7—B5120.12 (5)MgD—MgN—B9xiii97.25 (2)
B1xiii—B7—B9xxi112.88 (5)MgE—MgN—B9xiii61.75 (2)
B1xx—B7—B9xxi112.88 (5)B9i—MgN—B9xiii121.67 (4)
B5—B7—B9xxi117.39 (5)B11—MgN—B10i46.85 (2)
B1xiii—B7—B2xx111.52 (4)B12x—MgN—B10i118.88 (2)
B1xx—B7—B2xx60.55 (3)B1—MgN—B10i84.46 (2)
B5—B7—B2xx118.63 (3)B1iii—MgN—B10i119.73 (3)
B9xxi—B7—B2xx63.45 (3)MgD—MgN—B10i133.77 (2)
B1xiii—B7—B2xiii60.55 (3)MgE—MgN—B10i63.11 (2)
B1xx—B7—B2xiii111.52 (4)B9i—MgN—B10i39.60 (2)
B5—B7—B2xiii118.63 (3)B9xiii—MgN—B10i117.92 (3)
B9xxi—B7—B2xiii63.45 (3)B11—MgN—B10xiii46.85 (2)
B2xx—B7—B2xiii114.24 (6)B12x—MgN—B10xiii118.88 (2)
B4xxii—B8—B4v116.74 (11)B1—MgN—B10xiii119.73 (3)
B4xxii—B8—B6113.05 (7)B1iii—MgN—B10xiii84.46 (2)
B4v—B8—B6113.05 (7)MgD—MgN—B10xiii133.77 (2)
B4xxii—B8—B3xxii65.71 (4)MgE—MgN—B10xiii63.11 (2)
B4v—B8—B3xxii117.78 (7)B9i—MgN—B10xiii117.92 (3)
B6—B8—B3xxii122.01 (5)B9xiii—MgN—B10xiii39.60 (2)
B4xxii—B8—B3v117.78 (7)B10i—MgN—B10xiii90.36 (4)
B4v—B8—B3v65.71 (4)B11—MgN—MgFix64.45 (2)
B6—B8—B3v122.01 (5)B12x—MgN—MgFix65.47 (2)
B3xxii—B8—B3v62.03 (4)B1—MgN—MgFix122.12 (3)
B4xxii—B8—B10x62.12 (4)B1iii—MgN—MgFix171.44 (4)
B4v—B8—B10x62.12 (4)MgD—MgN—MgFix113.23 (2)
B6—B8—B10x111.38 (5)MgE—MgN—MgFix117.17 (3)
B3xxii—B8—B10x115.72 (5)B9i—MgN—MgFix79.61 (3)
B3v—B8—B10x115.72 (5)B9xiii—MgN—MgFix140.86 (4)
B4xxii—B8—MgFxvii130.76 (6)B10i—MgN—MgFix55.88 (2)
B4v—B8—MgFxvii19.76 (7)B10xiii—MgN—MgFix102.45 (3)
B6—B8—MgFxvii93.38 (4)B11—MgN—MgFxii64.45 (2)
B3xxii—B8—MgFxvii133.21 (5)B12x—MgN—MgFxii65.47 (2)
B3v—B8—MgFxvii73.74 (3)B1—MgN—MgFxii171.44 (4)
B10x—B8—MgFxvii69.85 (2)B1iii—MgN—MgFxii122.11 (3)
B4xxii—B8—MgFxv19.76 (7)MgD—MgN—MgFxii113.23 (2)
B4v—B8—MgFxv130.76 (6)MgE—MgN—MgFxii117.17 (3)
B6—B8—MgFxv93.38 (4)B9i—MgN—MgFxii140.86 (4)
B3xxii—B8—MgFxv73.75 (3)B9xiii—MgN—MgFxii79.61 (3)
B3v—B8—MgFxv133.21 (5)B10i—MgN—MgFxii102.45 (3)
B10x—B8—MgFxv69.85 (2)B10xiii—MgN—MgFxii55.88 (3)
MgFxvii—B8—MgFxv138.80 (4)MgFix—MgN—MgFxii66.38 (6)
B10—B9—B7xxi115.70 (6)B13x—MgD—B12x114.60 (5)
B10—B9—B2xxiii119.39 (3)B13x—MgD—B2iii87.88 (3)
B7xxi—B9—B2xxiii58.63 (3)B12x—MgD—B2iii126.690 (19)
B10—B9—B2xxiv119.39 (3)B13x—MgD—B287.87 (3)
B7xxi—B9—B2xxiv58.63 (3)B12x—MgD—B2126.688 (19)
B2xxiii—B9—B2xxiv106.56 (5)B2iii—MgD—B2100.24 (3)
B10—B9—B1xiii127.63 (5)B13x—MgD—MgN174.71 (5)
B7xxi—B9—B1xiii108.72 (5)B12x—MgD—MgN60.12 (3)
B2xxiii—B9—B1xiii63.89 (3)B2iii—MgD—MgN95.50 (2)
B2xxiv—B9—B1xiii106.56 (4)B2—MgD—MgN95.50 (2)
B10—B9—B1xx127.63 (5)B13x—MgD—B3xxii46.76 (4)
B7xxi—B9—B1xx108.72 (5)B12x—MgD—B3xxii148.02 (3)
B2xxiii—B9—B1xx106.56 (4)B2iii—MgD—B3xxii44.26 (2)
B2xxiv—B9—B1xx63.89 (3)B2—MgD—B3xxii82.68 (2)
B1xiii—B9—B1xx53.79 (4)MgN—MgD—B3xxii137.67 (3)
B10—B9—MgNxiii70.21 (3)B13x—MgD—B3v46.76 (4)
B7xxi—B9—MgNxiii123.97 (2)B12x—MgD—B3v148.01 (3)
B2xxiii—B9—MgNxiii70.30 (2)B2iii—MgD—B3v82.69 (2)
B2xxiv—B9—MgNxiii168.97 (5)B2—MgD—B3v44.26 (2)
B1xiii—B9—MgNxiii62.45 (3)MgN—MgD—B3v137.67 (3)
B1xx—B9—MgNxiii106.35 (4)B3xxii—MgD—B3v45.13 (3)
B10—B9—MgNi70.21 (3)B13x—MgD—B2iv114.786 (18)
B7xxi—B9—MgNi123.96 (2)B12x—MgD—B2iv83.08 (2)
B2xxiii—B9—MgNi168.97 (5)B2iii—MgD—B2iv132.27 (3)
B2xxiv—B9—MgNi70.30 (2)B2—MgD—B2iv44.13 (3)
B1xiii—B9—MgNi106.35 (4)MgN—MgD—B2iv65.670 (17)
B1xx—B9—MgNi62.45 (2)B3xxii—MgD—B2iv126.73 (2)
MgNxiii—B9—MgNi110.67 (4)B3v—MgD—B2iv84.42 (2)
B10—B9—MgExxv72.18 (5)B13x—MgD—B2xxxi114.788 (17)
B7xxi—B9—MgExxv172.12 (5)B12x—MgD—B2xxxi83.09 (2)
B2xxiii—B9—MgExxv118.38 (3)B2iii—MgD—B2xxxi44.13 (3)
B2xxiv—B9—MgExxv118.38 (3)B2—MgD—B2xxxi132.27 (3)
B1xiii—B9—MgExxv64.40 (4)MgN—MgD—B2xxxi65.671 (17)
B1xx—B9—MgExxv64.40 (4)B3xxii—MgD—B2xxxi84.42 (2)
MgNxiii—B9—MgExxv57.40 (2)B3v—MgD—B2xxxi126.73 (2)
MgNi—B9—MgExxv57.40 (2)B2iv—MgD—B2xxxi129.90 (4)
B9—B10—B4xx122.86 (7)B13x—MgD—B13xxxii74.41 (7)
B9—B10—B4xiii122.86 (7)B12x—MgD—B13xxxii45.88 (4)
B4xx—B10—B4xiii101.83 (10)B2iii—MgD—B13xxxii105.88 (4)
B9—B10—B8x129.29 (6)B2—MgD—B13xxxii147.57 (5)
B4xx—B10—B8x53.69 (3)MgN—MgD—B13xxxii100.70 (4)
B4xiii—B10—B8x53.69 (3)B3xxii—MgD—B13xxxii102.92 (4)
B9—B10—B11xiii123.43 (5)B3v—MgD—B13xxxii120.58 (4)
B4xx—B10—B11xiii107.57 (7)B2iv—MgD—B13xxxii120.15 (4)
B4xiii—B10—B11xiii62.05 (5)B2xxxi—MgD—B13xxxii80.14 (4)
B8x—B10—B11xiii99.81 (4)B13x—MgD—B13v74.41 (7)
B9—B10—B11i123.43 (5)B12x—MgD—B13v45.88 (4)
B4xx—B10—B11i62.05 (5)B2iii—MgD—B13v147.58 (5)
B4xiii—B10—B11i107.57 (7)B2—MgD—B13v105.88 (4)
B8x—B10—B11i99.81 (4)MgN—MgD—B13v100.70 (4)
B11xiii—B10—B11i59.53 (6)B3xxii—MgD—B13v120.58 (4)
B9—B10—MgFxxiv104.31 (3)B3v—MgD—B13v102.92 (4)
B4xx—B10—MgFxxiv114.64 (5)B2iv—MgD—B13v80.14 (4)
B4xiii—B10—MgFxxiv18.67 (6)B2xxxi—MgD—B13v120.15 (4)
B8x—B10—MgFxxiv61.81 (3)B13xxxii—MgD—B13v43.64 (8)
B11xiii—B10—MgFxxiv72.62 (5)B13x—MgD—B3x110.61 (4)
B11i—B10—MgFxxiv125.02 (5)B12x—MgD—B3x43.372 (16)
B9—B10—MgFxxvi104.31 (3)B2iii—MgD—B3x84.05 (2)
B4xx—B10—MgFxxvi18.67 (6)B2—MgD—B3x161.26 (3)
B4xiii—B10—MgFxxvi114.64 (5)MgN—MgD—B3x65.84 (2)
B8x—B10—MgFxxvi61.81 (3)B3xxii—MgD—B3x111.948 (17)
B11xiii—B10—MgFxxvi125.02 (5)B3v—MgD—B3x154.04 (3)
B11i—B10—MgFxxvi72.62 (5)B2iv—MgD—B3x120.70 (3)
MgFxxiv—B10—MgFxxvi123.00 (7)B2xxxi—MgD—B3x43.13 (2)
B9—B10—MgNxiii70.19 (3)B13xxxii—MgD—B3x43.36 (4)
B4xx—B10—MgNxiii165.69 (7)B13v—MgD—B3x77.40 (4)
B4xiii—B10—MgNxiii72.08 (4)MgN—MgE—MgNxv116.996 (14)
B8x—B10—MgNxiii124.636 (18)MgN—MgE—MgNxvi116.996 (14)
B11xiii—B10—MgNxiii58.12 (3)MgNxv—MgE—MgNxvi116.996 (14)
B11i—B10—MgNxiii106.76 (4)MgN—MgE—B1xxxiii141.06 (3)
MgFxxiv—B10—MgNxiii63.10 (3)MgNxv—MgE—B1xxxiii58.125 (18)
MgFxxvi—B10—MgNxiii173.22 (4)MgNxvi—MgE—B1xxxiii95.06 (2)
B9—B10—MgNi70.19 (3)MgN—MgE—B1xvi141.06 (3)
B4xx—B10—MgNi72.08 (4)MgNxv—MgE—B1xvi95.06 (2)
B4xiii—B10—MgNi165.69 (7)MgNxvi—MgE—B1xvi58.125 (18)
B8x—B10—MgNi124.633 (19)B1xxxiii—MgE—B1xvi42.37 (3)
B11xiii—B10—MgNi106.76 (4)MgN—MgE—B1xv95.06 (2)
B11i—B10—MgNi58.12 (3)MgNxv—MgE—B1xv58.125 (18)
MgFxxiv—B10—MgNi173.22 (3)MgNxvi—MgE—B1xv141.06 (3)
MgFxxvi—B10—MgNi63.10 (3)B1xxxiii—MgE—B1xv47.71 (3)
MgNxiii—B10—MgNi110.64 (4)B1xvi—MgE—B1xv83.14 (3)
B9—B10—MgExxv68.99 (4)MgN—MgE—B158.125 (18)
B4xx—B10—MgExxv119.62 (3)MgNxv—MgE—B1141.06 (3)
B4xiii—B10—MgExxv119.62 (3)MgNxvi—MgE—B195.06 (2)
B8x—B10—MgExxv161.71 (5)B1xxxiii—MgE—B199.95 (4)
B11xiii—B10—MgExxv64.60 (3)B1xvi—MgE—B183.14 (3)
B11i—B10—MgExxv64.60 (4)B1xv—MgE—B183.14 (3)
MgFxxiv—B10—MgExxv118.01 (4)MgN—MgE—B1ii95.06 (2)
MgFxxvi—B10—MgExxv118.01 (4)MgNxv—MgE—B1ii141.06 (3)
MgNxiii—B10—MgExxv56.760 (19)MgNxvi—MgE—B1ii58.125 (18)
MgNi—B10—MgExxv56.760 (19)B1xxxiii—MgE—B1ii83.14 (3)
B14—B11—B11xv59.37 (3)B1xvi—MgE—B1ii47.71 (3)
B14—B11—B11xvi59.37 (3)B1xv—MgE—B1ii99.95 (4)
B11xv—B11—B11xvi60.0B1—MgE—B1ii42.37 (3)
B14—B11—B10i104.96 (3)MgN—MgE—B1iii58.125 (18)
B11xv—B11—B10i116.29 (3)MgNxv—MgE—B1iii95.06 (2)
B11xvi—B11—B10i60.24 (3)MgNxvi—MgE—B1iii141.06 (3)
B14—B11—B10xiii104.96 (3)B1xxxiii—MgE—B1iii83.14 (3)
B11xv—B11—B10xiii60.24 (3)B1xvi—MgE—B1iii99.95 (4)
B11xvi—B11—B10xiii116.29 (3)B1xv—MgE—B1iii42.37 (3)
B10i—B11—B10xiii139.88 (6)B1—MgE—B1iii47.71 (3)
B14—B11—B4101.71 (6)B1ii—MgE—B1iii83.14 (3)
B11xv—B11—B4159.56 (6)MgN—MgE—B1153.72 (3)
B11xvi—B11—B4104.99 (5)MgNxv—MgE—B1193.44 (3)
B10i—B11—B457.99 (3)MgNxvi—MgE—B1193.44 (3)
B10xiii—B11—B4138.11 (7)B1xxxiii—MgE—B11151.02 (3)
B14—B11—B4iii101.71 (6)B1xvi—MgE—B11151.02 (3)
B11xv—B11—B4iii104.99 (5)B1xv—MgE—B11124.451 (19)
B11xvi—B11—B4iii159.56 (6)B1—MgE—B11106.82 (2)
B10i—B11—B4iii138.11 (7)B1ii—MgE—B11124.451 (19)
B10xiii—B11—B4iii57.99 (3)B1iii—MgE—B11106.82 (2)
B4—B11—B4iii85.45 (7)MgN—MgE—B11xvi93.44 (3)
B14—B11—B1254.95 (4)MgNxv—MgE—B11xvi93.44 (3)
B11xv—B11—B12106.29 (3)MgNxvi—MgE—B11xvi53.72 (3)
B11xvi—B11—B12106.29 (3)B1xxxiii—MgE—B11xvi124.451 (19)
B10i—B11—B12109.46 (3)B1xvi—MgE—B11xvi106.82 (2)
B10xiii—B11—B12109.46 (3)B1xv—MgE—B11xvi151.02 (3)
B4—B11—B1262.52 (4)B1—MgE—B11xvi124.451 (19)
B4iii—B11—B1262.52 (4)B1ii—MgE—B11xvi106.82 (2)
B14—B11—MgN179.96 (4)B1iii—MgE—B11xvi151.02 (3)
B11xv—B11—MgN120.61 (2)B11—MgE—B11xvi44.94 (4)
B11xvi—B11—MgN120.61 (2)MgN—MgE—B11xv93.44 (3)
B10i—B11—MgN75.04 (3)MgNxv—MgE—B11xv53.72 (3)
B10xiii—B11—MgN75.04 (3)MgNxvi—MgE—B11xv93.44 (3)
B4—B11—MgN78.32 (6)B1xxxiii—MgE—B11xv106.82 (2)
B4iii—B11—MgN78.32 (6)B1xvi—MgE—B11xv124.451 (19)
B12—B11—MgN125.09 (5)B1xv—MgE—B11xv106.82 (2)
B14—B11—MgE117.77 (5)B1—MgE—B11xv151.02 (3)
B11xv—B11—MgE67.529 (18)B1ii—MgE—B11xv151.02 (3)
B11xvi—B11—MgE67.529 (18)B1iii—MgE—B11xv124.451 (19)
B10i—B11—MgE71.32 (3)B11—MgE—B11xv44.94 (4)
B10xiii—B11—MgE71.32 (3)B11xvi—MgE—B11xv44.94 (4)
B4—B11—MgE122.02 (4)B4ix—MgF—B4xxxiv168.1 (2)
B4iii—B11—MgE122.02 (4)B4ix—MgF—B8xviii41.91 (9)
B12—B11—MgE172.71 (5)B4xxxiv—MgF—B8xviii149.94 (15)
MgN—B11—MgE62.20 (3)B4ix—MgF—B8xvi149.94 (15)
B14—B11—MgFix115.56 (4)B4xxxiv—MgF—B8xvi41.91 (9)
B11xv—B11—MgFix174.67 (2)B8xviii—MgF—B8xvi108.26 (8)
B11xvi—B11—MgFix116.63 (3)B4ix—MgF—B10xxx138.86 (5)
B10i—B11—MgFix62.39 (4)B4xxxiv—MgF—B10xxx43.94 (5)
B10xiii—B11—MgFix124.40 (5)B8xviii—MgF—B10xxx118.52 (6)
B4—B11—MgFix15.14 (6)B8xvi—MgF—B10xxx48.34 (3)
B4iii—B11—MgFix77.15 (5)B4ix—MgF—B10vi43.94 (5)
B12—B11—MgFix70.17 (3)B4xxxiv—MgF—B10vi138.86 (5)
MgN—B11—MgFix64.47 (3)B8xviii—MgF—B10vi48.34 (3)
MgE—B11—MgFix115.69 (3)B8xvi—MgF—B10vi118.52 (6)
B14—B11—MgFxii115.56 (4)B10xxx—MgF—B10vi161.61 (9)
B11xv—B11—MgFxii116.63 (3)B4ix—MgF—B3xxxiv140.10 (5)
B11xvi—B11—MgFxii174.67 (2)B4xxxiv—MgF—B3xxxiv42.02 (5)
B10i—B11—MgFxii124.40 (5)B8xviii—MgF—B3xxxiv124.98 (6)
B10xiii—B11—MgFxii62.38 (4)B8xvi—MgF—B3xxxiv44.71 (3)
B4—B11—MgFxii77.15 (5)B10xxx—MgF—B3xxxiv80.62 (2)
B4iii—B11—MgFxii15.14 (6)B10vi—MgF—B3xxxiv97.21 (3)
B12—B11—MgFxii70.17 (3)B4ix—MgF—B3ix42.02 (5)
MgN—B11—MgFxii64.47 (3)B4xxxiv—MgF—B3ix140.10 (5)
MgE—B11—MgFxii115.69 (3)B8xviii—MgF—B3ix44.71 (3)
MgFix—B11—MgFxii66.39 (7)B8xvi—MgF—B3ix124.98 (6)
B3—B12—B3iii146.17 (6)B10xxx—MgF—B3ix97.21 (3)
B3—B12—B14102.69 (3)B10vi—MgF—B3ix80.62 (2)
B3iii—B12—B14102.69 (3)B3xxxiv—MgF—B3ix166.54 (8)
B3—B12—B13i60.28 (6)B4ix—MgF—B11ix36.14 (8)
B3iii—B12—B13i116.54 (6)B4xxxiv—MgF—B11ix133.97 (13)
B14—B12—B13i59.73 (6)B8xviii—MgF—B11ix74.07 (2)
B3—B12—B13xiii116.54 (6)B8xvi—MgF—B11ix156.36 (3)
B3iii—B12—B13xiii60.28 (6)B10xxx—MgF—B11ix151.91 (6)
B14—B12—B13xiii59.73 (6)B10vi—MgF—B11ix44.99 (2)
B13i—B12—B13xiii59.03 (10)B3xxxiv—MgF—B11ix113.96 (3)
B3—B12—B11106.11 (3)B3ix—MgF—B11ix73.87 (3)
B3iii—B12—B11106.11 (3)B4ix—MgF—B11xxxv133.97 (13)
B14—B12—B1158.40 (6)B4xxxiv—MgF—B11xxxv36.14 (8)
B13i—B12—B11109.88 (5)B8xviii—MgF—B11xxxv156.36 (3)
B13xiii—B12—B11109.88 (5)B8xvi—MgF—B11xxxv74.07 (2)
B3—B12—B459.07 (3)B10xxx—MgF—B11xxxv44.99 (2)
B3iii—B12—B4135.93 (6)B10vi—MgF—B11xxxv151.91 (6)
B14—B12—B4100.36 (6)B3xxxiv—MgF—B11xxxv73.87 (3)
B13i—B12—B4107.50 (6)B3ix—MgF—B11xxxv113.96 (3)
B13xiii—B12—B4159.29 (8)B11ix—MgF—B11xxxv113.61 (7)
B11—B12—B457.38 (4)B4ix—MgF—MgNix84.73 (8)
B3—B12—B4iii135.93 (6)B4xxxiv—MgF—MgNix88.78 (8)
B3iii—B12—B4iii59.07 (3)B8xviii—MgF—MgNix109.16 (2)
B14—B12—B4iii100.36 (6)B8xvi—MgF—MgNix108.26 (2)
B13i—B12—B4iii159.29 (8)B10xxx—MgF—MgNix131.26 (4)
B13xiii—B12—B4iii107.50 (6)B10vi—MgF—MgNix61.02 (2)
B11—B12—B4iii57.38 (4)B3xxxiv—MgF—MgNix63.62 (2)
B4—B12—B4iii80.20 (6)B3ix—MgF—MgNix124.93 (4)
B3—B12—MgDx73.69 (3)B11ix—MgF—MgNix51.08 (3)
B3iii—B12—MgDx73.69 (3)B11xxxv—MgF—MgNix91.66 (4)
B14—B12—MgDx123.91 (6)B4ix—MgF—MgNxxxv88.78 (8)
B13i—B12—MgDx72.09 (5)B4xxxiv—MgF—MgNxxxv84.72 (8)
B13xiii—B12—MgDx72.09 (5)B8xviii—MgF—MgNxxxv108.26 (2)
B11—B12—MgDx177.69 (5)B8xvi—MgF—MgNxxxv109.16 (2)
B4—B12—MgDx121.11 (4)B10xxx—MgF—MgNxxxv61.02 (2)
B4iii—B12—MgDx121.11 (4)B10vi—MgF—MgNxxxv131.26 (4)
B3—B12—MgNx78.53 (3)B3xxxiv—MgF—MgNxxxv124.93 (4)
B3iii—B12—MgNx78.53 (3)B3ix—MgF—MgNxxxv63.62 (2)
B14—B12—MgNx174.07 (6)B11ix—MgF—MgNxxxv91.66 (4)
B13i—B12—MgNx125.07 (6)B11xxxv—MgF—MgNxxxv51.07 (3)
B13xiii—B12—MgNx125.08 (6)MgNix—MgF—MgNxxxv113.62 (6)
Symmetry codes: (i) y, x+y, z+1; (ii) x, xy, z; (iii) x+y, y, z; (iv) x+2/3, x+y+1/3, z+1/3; (v) x+y+1/3, x+2/3, z1/3; (vi) y+2/3, xy+1/3, z2/3; (vii) xy+2/3, x+1/3, z+1/3; (viii) y+2/3, xy+1/3, z+1/3; (ix) x+2/3, y+1/3, z+1/3; (x) x+1/3, y+2/3, z+2/3; (xi) xy+1/3, y+2/3, z+2/3; (xii) x1/3, y+1/3, z+1/3; (xiii) xy, x, z+1; (xiv) x, y, z+1; (xv) y, xy, z; (xvi) x+y, x, z; (xvii) xy, x, z; (xviii) y, x+y, z; (xix) x, y, z1; (xx) y, x, z+1; (xxi) x+1/3, y+2/3, z+5/3; (xxii) y+1/3, x+2/3, z1/3; (xxiii) y+1/3, x+2/3, z+2/3; (xxiv) x+y+1/3, x+2/3, z+2/3; (xxv) x, y, z+1; (xxvi) y+1/3, x+y+2/3, z+2/3; (xxvii) x+y1/3, x+1/3, z+1/3; (xxviii) y2/3, x+y1/3, z+2/3; (xxix) x1/3, y2/3, z+1/3; (xxx) xy+1/3, x1/3, z+2/3; (xxxi) y1/3, x+y+1/3, z+1/3; (xxxii) y+1/3, xy+2/3, z1/3; (xxxiii) y, x, z; (xxxiv) x+y+1/3, y1/3, z1/3; (xxxv) x+1/3, y1/3, z1/3.

Experimental details

Crystal data
Chemical formulaMg2B25
Mr318.87
Crystal system, space groupHexagonal, R3m
Temperature (K)298
a, c (Å)11.0398 (5), 24.195 (1)
V3)2553.75 (19)
Z12
Radiation typeMo Kα
µ (mm1)0.23
Crystal size (mm)0.08 × 0.07 × 0.07
Data collection
DiffractometerOxford Xcalibur 3 CCD
diffractometer
Absorption correctionGaussian
(ABSPACK; Oxford Diffraction, 2006)
Tmin, Tmax0.982, 0.984
No. of measured, independent and
observed [I > 2σ(I)] reflections
4794, 799, 724
Rint0.045
(sin θ/λ)max1)0.661
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.021, 0.049, 1.13
No. of reflections799
No. of parameters122
Δρmax, Δρmin (e Å3)0.14, 0.31

Computer programs: CrysAlis CCD (Oxford Diffraction, 2006), CrysAlis RED (Oxford Diffraction, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2001).

 

References

First citationAdasch, V., Hess, K. U., Ludwig, T., Vojteer, V. & Hillebrecht, H. (2006a). J. Solid State Chem. 179, 2916–2926.  Web of Science CrossRef CAS Google Scholar
First citationAdasch, V., Hess, K. U., Ludwig, T., Vojteer, V. & Hillebrecht, H. (2006b). J. Solid State Chem. 179, 2900–2907.  Web of Science CrossRef CAS Google Scholar
First citationBrandenburg, K. (2001). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
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